[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C15H24ClN3O — CID 80977885

IUPAC[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCCc1nc(Cl)c(C)c(NCC2CCCCC2CO)n1
InChIInChI=1S/C15H24ClN3O/c1-3-13-18-14(16)10(2)15(19-13)17-8-11-6-4-5-7-12(11)9-20/h11-12,20H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyTUPNBOFJTCJNII-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.21
Rot. Bonds5

About [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 80977885) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID80977885
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCCc1nc(Cl)c(C)c(NCC2CCCCC2CO)n1
InChIInChI=1S/C15H24ClN3O/c1-3-13-18-14(16)10(2)15(19-13)17-8-11-6-4-5-7-12(11)9-20/h11-12,20H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyTUPNBOFJTCJNII-UHFFFAOYSA-N
XLogP3.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148545
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
6-chloro-2-ethyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414780
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854317
6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80972684
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
2-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 81007386
6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 80970032

Frequently Asked Questions

What is the IUPAC name of [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 80977885) is [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is CCc1nc(Cl)c(C)c(NCC2CCCCC2CO)n1.
What is the InChIKey of [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is TUPNBOFJTCJNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-13-18-14(16)10(2)15(19-13)17-8-11-6-4-5-7-12(11)9-20/h11-12,20H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 297.83 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 80977885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).